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4-(6-bromo-2-(chloromethyl)-4-oxoquinazolin-3(4H)-yl)benzonitrile
SpectraBase Compound ID Btc0YjcpnC1
InChI InChI=1S/C16H9BrClN3O/c17-11-3-6-14-13(7-11)16(22)21(15(8-18)20-14)12-4-1-10(9-19)2-5-12/h1-7H,8H2
InChIKey BRFXHPZRKUNWPM-UHFFFAOYSA-N
Mol Weight 374.63 g/mol
Molecular Formula C16H9BrClN3O
Exact Mass 372.961753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc9FPuAb49C
Name 4-(6-bromo-2-(chloromethyl)-4-oxoquinazolin-3(4H)-yl)benzonitrile
Appearance White powder
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Exact Mass 372.961752621 u
Formula C16H9BrClN3O
InChI InChI=1S/C16H9BrClN3O/c17-11-3-6-14-13(7-11)16(22)21(15(8-18)20-14)12-4-1-10(9-19)2-5-12/h1-7H,8H2
InChIKey BRFXHPZRKUNWPM-UHFFFAOYSA-N
Instrument Name Agilent Technologies
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202201245
Molecular Weight 374.625 g/mol
SMILES C1(=CC2=C(C=C1)N=C(N(C2=O)C1=CC=C(C=C1)C#N)CCl)Br
SPLASH splash10-00fr-0109000000-79019850cd35996ff95f
Source of Spectrum CBD-20-SM2-5e (DOI: 10.1002/cbdv.202201245)
Wiley ID 1909859